4-[(Z)-2-chloroprop-1-enyl]-6-methyl-N-phenylpyrimidin-2-amine

C14H14ClN3 — CID 100952374

IUPAC4-[(Z)-2-chloroprop-1-enyl]-6-methyl-N-phenylpyrimidin-2-amine
SMILESC/C(Cl)=C/c1cc(C)nc(Nc2ccccc2)n1
InChIInChI=1S/C14H14ClN3/c1-10(15)8-13-9-11(2)16-14(18-13)17-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17,18)/b10-8-
InChIKeyOWQKXJQFOVKZAL-NTMALXAHSA-N
MW259.74 g/mol
LogP4.13
Rot. Bonds3

About 4-[(Z)-2-chloroprop-1-enyl]-6-methyl-N-phenylpyrimidin-2-amine

4-[(Z)-2-chloroprop-1-enyl]-6-methyl-N-phenylpyrimidin-2-amine (PubChem CID 100952374) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-[(Z)-2-chloroprop-1-enyl]-6-methyl-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(Z)-2-chloroprop-1-enyl]-6-methyl-N-phenylpyrimidin-2-amine
PubChem CID100952374
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name4-[(Z)-2-chloroprop-1-enyl]-6-methyl-N-phenylpyrimidin-2-amine
SMILESC/C(Cl)=C/c1cc(C)nc(Nc2ccccc2)n1
InChIInChI=1S/C14H14ClN3/c1-10(15)8-13-9-11(2)16-14(18-13)17-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17,18)/b10-8-
InChIKeyOWQKXJQFOVKZAL-NTMALXAHSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 20585928
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117083923
2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334548
2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334677
4-cycloprop-2-yn-1-yl-6-methyl-N-phenylpyrimidin-2-amine
CID 142647855
2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926861
2-anilino-4,6-dimethylpyrimidin-5-ol
CID 45097442
4-methyl-6-(5-methylthiophen-2-yl)-N-phenylpyrimidin-2-amine
CID 14347206
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;methane
CID 157311449
4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 83718542
4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol
CID 741703

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-chloroprop-1-enyl]-6-methyl-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-[(Z)-2-chloroprop-1-enyl]-6-methyl-N-phenylpyrimidin-2-amine (CID 100952374) is 4-[(Z)-2-chloroprop-1-enyl]-6-methyl-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-[(Z)-2-chloroprop-1-enyl]-6-methyl-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-[(Z)-2-chloroprop-1-enyl]-6-methyl-N-phenylpyrimidin-2-amine is C/C(Cl)=C/c1cc(C)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-[(Z)-2-chloroprop-1-enyl]-6-methyl-N-phenylpyrimidin-2-amine?
The InChIKey is OWQKXJQFOVKZAL-NTMALXAHSA-N. The full InChI is InChI=1S/C14H14ClN3/c1-10(15)8-13-9-11(2)16-14(18-13)17-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17,18)/b10-8-.
What are the key properties of 4-[(Z)-2-chloroprop-1-enyl]-6-methyl-N-phenylpyrimidin-2-amine?
4-[(Z)-2-chloroprop-1-enyl]-6-methyl-N-phenylpyrimidin-2-amine has a molecular weight of 259.74 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-chloroprop-1-enyl]-6-methyl-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 100952374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).